3,3-difluoropyrrolidin-2-one

C4H5F2NO — CID 45092489

IUPAC3,3-difluoropyrrolidin-2-one
SMILESO=C1NCCC1(F)F
InChIInChI=1S/C4H5F2NO/c5-4(6)1-2-7-3(4)8/h1-2H2,(H,7,8)
InChIKeyBDHHIGBFEDVNDX-UHFFFAOYSA-N
MW121.09 g/mol
LogP0.14
Rot. Bonds

About 3,3-difluoropyrrolidin-2-one

3,3-difluoropyrrolidin-2-one (PubChem CID 45092489) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 3,3-difluoropyrrolidin-2-one.

Molecular Properties

Compound Name3,3-difluoropyrrolidin-2-one
PubChem CID45092489
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name3,3-difluoropyrrolidin-2-one
SMILESO=C1NCCC1(F)F
InChIInChI=1S/C4H5F2NO/c5-4(6)1-2-7-3(4)8/h1-2H2,(H,7,8)
InChIKeyBDHHIGBFEDVNDX-UHFFFAOYSA-N
XLogP0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pyrrolidone
CID 12025
(5S)-5-(Trifluoromethyl)pyrrolidin-2-one
CID 56647382
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
2-Pyrrolidone, hydrochloride
CID 3048222
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
3-Fluoropyrrolidin-2-one
CID 10011854
4-(Trifluoromethyl)pyrrolidin-2-one
CID 67195107
4-(Difluoromethyl)pyrrolidin-2-one
CID 67253829
4,4-Difluoropyrrolidin-2-one
CID 68769558
2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86102547
Rac-beta-fluoro-gamma-butyrolactam
CID 105426949
4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidin-2-one?
The IUPAC name of 3,3-difluoropyrrolidin-2-one (CID 45092489) is 3,3-difluoropyrrolidin-2-one.
What is the SMILES notation for 3,3-difluoropyrrolidin-2-one?
The canonical SMILES for 3,3-difluoropyrrolidin-2-one is O=C1NCCC1(F)F.
What is the InChIKey of 3,3-difluoropyrrolidin-2-one?
The InChIKey is BDHHIGBFEDVNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-4(6)1-2-7-3(4)8/h1-2H2,(H,7,8).
What are the key properties of 3,3-difluoropyrrolidin-2-one?
3,3-difluoropyrrolidin-2-one has a molecular weight of 121.09 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidin-2-one is sourced from PubChem (CID 45092489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).